Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.64 |
| ▸ | CA2 | P00918 | 1/20 | 0.64 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | ESR1 | P03372 | 4/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | BCR | P11274 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8649 | 1.00 | CA1 (0.64) | CA1CA2ENPP2CYP1A2ESR1 | |
| SCHEMBL28864354 | 0.96 | CA1 (0.59) | CA1CA2ENPP2CYP1A2ESR1 | |
| SCHEMBL3678771 | 0.93 | CA1 (0.61) | CA1CA2ENPP2CYP1A2ESR1 | |
| SCHEMBL29952068 | 0.93 | CA1 (0.61) | CA1CA2ENPP2CYP1A2ESR1 | |
| SCHEMBL205203 | 0.87 | CA2 (0.80) | CA1CA2ENPP2TSHRTTR | |
| SCHEMBL31354846 | 0.87 | CA2 (0.80) | CA1CA2ENPP2TSHRTTR | |
| SCHEMBL13667343 | 0.82 | CA2 (0.73) | CA1CA2ENPP2TSHRTTR | |
| SCHEMBL28784898 | 0.79 | CA2 (0.76) | CA1CA2ENPP2TSHRTTR | |
| SCHEMBL29364786 | 0.79 | CYP1A2 (0.77) | CYP1A2ESR1ESR2CYP3A4ALOX15 | |
| SCHEMBL627219 | 0.79 | CYP1A2 (0.77) | CYP1A2ESR1ESR2CYP3A4ALOX15 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |